3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V029-7954 |
| Compound Name: | 3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C26 H25 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1CC=C)SCc1cccc(c1)C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2214 |
| logD: | 4.218 |
| logSw: | -4.1571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.061 |
| InChI Key: | QNNQVFPLUFSMKS-UHFFFAOYSA-N |